8SK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAL | sing | 1.36Å | 1.35Å | |
| CAL | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAF | sing | 1.40Å | 1.42Å | Aromatic |
| CAN | CAF | doub | 1.46Å | 1.41Å | Aromatic |
| CAN | CAM | sing | 1.35Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | CAC | sing | 1.41Å | 1.41Å | Aromatic |
| CAM | CAE | doub | 1.46Å | 1.41Å | Aromatic |
| CAP | CAG | doub | 1.40Å | 1.41Å | Aromatic |
| CAC | CAG | sing | 1.41Å | 1.41Å | Aromatic |
| CAC | CAB | doub | 1.41Å | 1.42Å | Aromatic |
| CAE | CAB | sing | 1.46Å | 1.41Å | Aromatic |
| CAE | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAO | sing | 1.41Å | 1.43Å | Aromatic |
| CAB | CAD | sing | 1.41Å | 1.43Å | Aromatic |
| CAJ | CAI | doub | 1.40Å | 1.40Å | Aromatic |
| CAO | CAK | doub | 1.36Å | 1.40Å | Aromatic |
| CAI | CAS | sing | 1.41Å | 1.41Å | Aromatic |
| CAI | CAH | sing | 1.42Å | 1.43Å | Aromatic |
| CAD | CAK | sing | 1.41Å | 1.42Å | Aromatic |
| CAD | CAH | doub | 1.46Å | 1.42Å | Aromatic |
| CAS | CAU | doub | 1.36Å | 1.40Å | Aromatic |
| CAH | CAR | sing | 1.40Å | 1.42Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.41Å | Aromatic |
| CAR | CAT | doub | 1.36Å | 1.40Å | Aromatic |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAN | H2 | sing | 1.08Å | 1.08Å | |
| CAJ | H3 | sing | 1.08Å | 1.08Å | |
| CAS | H4 | sing | 1.08Å | 1.08Å | |
| CAU | H5 | sing | 1.08Å | 1.08Å | |
| CAT | H6 | sing | 1.08Å | 1.08Å | |
| CAR | H7 | sing | 1.08Å | 1.08Å | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAO | H9 | sing | 1.08Å | 1.08Å | |
| CAP | H10 | sing | 1.08Å | 1.08Å | |
| CAQ | H11 | sing | 1.08Å | 1.08Å | |
| OAA | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAL | CAQ | 118.7° | 119.9° |
| OAA | CAL | CAF | 120.9° | 119.9° |
| CAL | OAA | H12 | 109.5° | 114.0° |
| CAQ | CAL | CAF | 120.3° | 120.1° |
| CAL | CAQ | CAP | 119.1° | 121.4° |
| CAL | CAQ | H11 | 120.5° | 119.3° |
| CAL | CAF | CAN | 120.6° | 121.1° |
| CAL | CAF | CAC | 120.0° | 118.8° |
| CAF | CAN | CAM | 120.1° | 121.1° |
| CAN | CAF | CAC | 119.5° | 120.1° |
| CAF | CAN | H2 | 120.0° | 119.5° |
| CAN | CAM | CAE | 120.5° | 120.1° |
| CAN | CAM | H1 | 119.8° | 120.0° |
| CAM | CAN | H2 | 120.0° | 119.4° |
| CAQ | CAP | CAG | 122.1° | 120.2° |
| CAQ | CAP | H10 | 119.0° | 119.9° |
| CAP | CAQ | H11 | 120.4° | 119.3° |
| CAF | CAC | CAG | 119.7° | 120.5° |
| CAF | CAC | CAB | 120.9° | 120.1° |
| CAM | CAE | CAB | 120.4° | 118.8° |
| CAM | CAE | CAJ | 119.8° | 121.5° |
| CAE | CAM | H1 | 119.7° | 119.9° |
| CAP | CAG | CAC | 118.7° | 119.0° |
| CAP | CAG | CAO | 121.1° | 121.5° |
| CAG | CAP | H10 | 119.0° | 119.9° |
| CAG | CAC | CAB | 119.3° | 119.4° |
| CAC | CAG | CAO | 120.1° | 119.5° |
| CAC | CAB | CAE | 118.6° | 119.8° |
| CAC | CAB | CAD | 120.8° | 119.8° |
| CAB | CAE | CAJ | 119.7° | 119.8° |
| CAE | CAB | CAD | 120.6° | 120.4° |
| CAE | CAJ | CAI | 120.9° | 120.8° |
| CAE | CAJ | H3 | 119.5° | 119.6° |
| CAG | CAO | CAK | 120.4° | 120.8° |
| CAG | CAO | H9 | 119.8° | 119.6° |
| CAB | CAD | CAK | 119.0° | 119.7° |
| CAB | CAD | CAH | 118.9° | 118.4° |
| CAJ | CAI | CAS | 118.6° | 120.1° |
| CAJ | CAI | CAH | 120.2° | 121.0° |
| CAI | CAJ | H3 | 119.6° | 119.6° |
| CAO | CAK | CAD | 120.3° | 120.8° |
| CAO | CAK | H8 | 119.8° | 119.6° |
| CAK | CAO | H9 | 119.8° | 119.6° |
| CAS | CAI | CAH | 121.2° | 118.9° |
| CAI | CAS | CAU | 119.9° | 119.9° |
| CAI | CAS | H4 | 120.1° | 120.0° |
| CAI | CAH | CAD | 119.7° | 119.6° |
| CAI | CAH | CAR | 118.3° | 119.6° |
| CAK | CAD | CAH | 122.1° | 121.9° |
| CAD | CAK | H8 | 119.9° | 119.6° |
| CAD | CAH | CAR | 122.0° | 120.8° |
| CAS | CAU | CAT | 119.2° | 121.0° |
| CAU | CAS | H4 | 120.1° | 120.1° |
| CAS | CAU | H5 | 120.4° | 119.5° |
| CAH | CAR | CAT | 119.8° | 119.8° |
| CAH | CAR | H7 | 120.1° | 120.0° |
| CAU | CAT | CAR | 121.7° | 120.8° |
| CAT | CAU | H5 | 120.4° | 119.5° |
| CAU | CAT | H6 | 119.2° | 119.6° |
| CAR | CAT | H6 | 119.2° | 119.5° |
| CAT | CAR | H7 | 120.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAL | CAQ | CAF | 179.8° | 180.0° |
| OAA | CAL | CAF | CAN | 0.1° | 0.0° |
| OAA | CAL | CAQ | CAP | 179.8° | 180.0° |
| OAA | CAL | CAF | CAC | 179.8° | 180.0° |
| OAA | CAL | CAQ | H11 | 0.2° | 0.0° |
| CAQ | CAL | CAF | CAN | 179.9° | 180.0° |
| CAL | CAQ | CAP | H11 | 180.0° | 180.0° |
| CAQ | CAL | CAF | CAC | 0.4° | 0.0° |
| CAL | CAQ | CAP | CAG | 0.4° | 0.1° |
| CAL | CAQ | CAP | H10 | 179.6° | 180.0° |
| CAQ | CAL | OAA | H12 | 180.0° | 90.0° |
| CAL | CAF | CAN | CAC | 179.7° | 180.0° |
| CAL | CAF | CAN | CAM | 179.4° | 180.0° |
| CAF | CAL | CAQ | CAP | 0.4° | 0.0° |
| CAL | CAF | CAC | CAG | 0.4° | 0.0° |
| CAL | CAF | CAC | CAB | 179.7° | 179.9° |
| CAL | CAF | CAN | H2 | 0.6° | 0.1° |
| CAF | CAL | CAQ | H11 | 179.6° | 180.0° |
| CAF | CAL | OAA | H12 | 0.2° | 90.0° |
| CAF | CAN | CAM | H2 | 180.0° | 179.9° |
| CAF | CAN | CAM | CAE | 1.3° | 0.1° |
| CAN | CAF | CAC | CAG | 179.9° | 180.0° |
| CAN | CAF | CAC | CAB | 0.6° | 0.0° |
| CAF | CAN | CAM | H1 | 178.7° | 179.7° |
| CAM | CAN | CAF | CAC | 0.3° | 0.1° |
| CAN | CAM | CAE | H1 | 180.0° | 179.7° |
| CAN | CAM | CAE | CAB | 1.4° | 0.0° |
| CAN | CAM | CAE | CAJ | 179.0° | 179.7° |
| CAQ | CAP | CAG | H10 | 180.0° | 179.9° |
| CAQ | CAP | CAG | CAC | 0.4° | 0.1° |
| CAQ | CAP | CAG | CAO | 179.5° | 179.9° |
| CAF | CAC | CAG | CAP | 0.4° | 0.0° |
| CAF | CAC | CAG | CAB | 179.3° | 180.0° |
| CAF | CAC | CAB | CAE | 0.6° | 0.0° |
| CAF | CAC | CAG | CAO | 179.5° | 179.9° |
| CAF | CAC | CAB | CAD | 179.0° | 180.0° |
| CAC | CAF | CAN | H2 | 179.7° | 179.9° |
| CAM | CAE | CAB | CAC | 0.4° | 0.0° |
| CAM | CAE | CAB | CAJ | 179.6° | 179.7° |
| CAM | CAE | CAB | CAD | 179.9° | 179.9° |
| CAM | CAE | CAJ | CAI | 179.6° | 180.0° |
| CAE | CAM | CAN | H2 | 178.7° | 179.9° |
| CAM | CAE | CAJ | H3 | 0.4° | 0.0° |
| CAP | CAG | CAC | CAO | 180.0° | 179.9° |
| CAP | CAG | CAC | CAB | 179.7° | 180.0° |
| CAP | CAG | CAO | CAK | 179.5° | 180.0° |
| CAP | CAG | CAO | H9 | 0.5° | 0.1° |
| CAG | CAP | CAQ | H11 | 179.6° | 180.0° |
| CAG | CAC | CAB | CAE | 179.8° | 180.0° |
| CAG | CAC | CAB | CAD | 0.2° | 0.0° |
| CAC | CAG | CAO | CAK | 0.4° | 0.2° |
| CAC | CAG | CAO | H9 | 179.6° | 180.0° |
| CAC | CAG | CAP | H10 | 179.5° | 180.0° |
| CAC | CAB | CAE | CAD | 179.6° | 179.9° |
| CAC | CAB | CAE | CAJ | 179.9° | 179.8° |
| CAB | CAC | CAG | CAO | 0.2° | 0.1° |
| CAC | CAB | CAD | CAK | 0.5° | 0.0° |
| CAC | CAB | CAD | CAH | 179.9° | 180.0° |
| CAB | CAE | CAJ | CAI | 0.0° | 0.2° |
| CAE | CAB | CAD | CAK | 179.9° | 179.9° |
| CAE | CAB | CAD | CAH | 0.3° | 0.1° |
| CAB | CAE | CAM | H1 | 178.6° | 179.7° |
| CAB | CAE | CAJ | H3 | 180.0° | 179.8° |
| CAJ | CAE | CAB | CAD | 0.3° | 0.3° |
| CAE | CAJ | CAI | H3 | 180.0° | 180.0° |
| CAE | CAJ | CAI | CAS | 179.4° | 180.0° |
| CAE | CAJ | CAI | CAH | 0.4° | 0.0° |
| CAJ | CAE | CAM | H1 | 1.0° | 0.0° |
| CAG | CAO | CAK | H9 | 180.0° | 179.8° |
| CAG | CAO | CAK | CAD | 0.1° | 0.1° |
| CAG | CAO | CAK | H8 | 179.9° | 179.9° |
| CAO | CAG | CAP | H10 | 0.5° | 0.2° |
| CAB | CAD | CAK | CAO | 0.3° | 0.0° |
| CAB | CAD | CAH | CAI | 0.1° | 0.1° |
| CAB | CAD | CAK | CAH | 179.6° | 180.0° |
| CAB | CAD | CAH | CAR | 179.8° | 180.0° |
| CAB | CAD | CAK | H8 | 179.7° | 180.0° |
| CAJ | CAI | CAS | CAH | 179.8° | 180.0° |
| CAJ | CAI | CAH | CAD | 0.4° | 0.2° |
| CAJ | CAI | CAS | CAU | 179.1° | 180.0° |
| CAJ | CAI | CAH | CAR | 179.8° | 179.9° |
| CAJ | CAI | CAS | H4 | 0.9° | 0.1° |
| CAO | CAK | CAD | H8 | 180.0° | 179.9° |
| CAO | CAK | CAD | CAH | 179.9° | 180.0° |
| CAS | CAI | CAH | CAD | 179.3° | 179.8° |
| CAI | CAS | CAU | H4 | 180.0° | 179.9° |
| CAS | CAI | CAH | CAR | 0.4° | 0.0° |
| CAI | CAS | CAU | CAT | 0.7° | 0.0° |
| CAS | CAI | CAJ | H3 | 0.6° | 0.0° |
| CAI | CAS | CAU | H5 | 179.3° | 180.0° |
| CAI | CAH | CAD | CAK | 179.5° | 179.8° |
| CAI | CAH | CAD | CAR | 179.7° | 179.8° |
| CAH | CAI | CAS | CAU | 1.2° | 0.0° |
| CAI | CAH | CAR | CAT | 0.8° | 0.1° |
| CAH | CAI | CAJ | H3 | 179.6° | 180.0° |
| CAH | CAI | CAS | H4 | 178.9° | 180.0° |
| CAI | CAH | CAR | H7 | 179.2° | 180.0° |
| CAK | CAD | CAH | CAR | 0.2° | 0.0° |
| CAD | CAK | CAO | H9 | 179.9° | 180.0° |
| CAD | CAH | CAR | CAT | 179.5° | 179.8° |
| CAD | CAH | CAR | H7 | 0.5° | 0.1° |
| CAH | CAD | CAK | H8 | 0.1° | 0.1° |
| CAS | CAU | CAT | H5 | 180.0° | 180.0° |
| CAS | CAU | CAT | CAR | 0.5° | 0.0° |
| CAS | CAU | CAT | H6 | 179.5° | 180.0° |
| CAH | CAR | CAT | CAU | 1.3° | 0.0° |
| CAH | CAR | CAT | H7 | 180.0° | 179.9° |
| CAH | CAR | CAT | H6 | 178.7° | 180.0° |
| CAU | CAT | CAR | H6 | 180.0° | 180.0° |
| CAT | CAU | CAS | H4 | 179.3° | 180.0° |
| CAU | CAT | CAR | H7 | 178.7° | 180.0° |
| CAR | CAT | CAU | H5 | 179.5° | 180.0° |
| H1 | CAM | CAN | H2 | 1.3° | 0.4° |
| H4 | CAS | CAU | H5 | 0.7° | 0.0° |
| H5 | CAU | CAT | H6 | 0.6° | 0.0° |
| H6 | CAT | CAR | H7 | 1.3° | 0.1° |
| H8 | CAK | CAO | H9 | 0.1° | 0.1° |
| H10 | CAP | CAQ | H11 | 0.4° | 0.1° |
